2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-chloranyl-4-methoxy-phenyl)-2-phenyl-ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-chloranyl-4-methoxy-phenyl)-2-phenyl-ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methoxy-phenyl)-2-phenyl-acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(3-chloro-4-methoxy-phenyl)-2-phenyl-acetamide Formula: C20H16ClN5O2S MolecularWeight: 425.89134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=C(C(=N3)N)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=C(C(=N3)N)C#N)Cl

InChI

InChI=1S/C20H16ClN5O2S/c1-28-16-8-7-14(9-15(16)21)25-19(27)17(12-5-3-2-4-6-12)29-20-24-11-13(10-22)18(23)26-20/h2-9,11,17H,1H3,(H,25,27)(H2,23,24,26)